BDBM50210429 (2S,3aS,7aS)-1-[(R)-2-((R)-2-hydroxy-3-phenyl-propionylamino)-4-methyl-pentanoyl]-octahydro-indole-2-carboxylic acid [2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)-ethyl]-amide::CHEMBL245692

SMILES: CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N

InChI Key: InChIKey=XTMSPOVSESTFFC-PWTLFHGOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210429   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50210429 ((2S,3aS,7aS)-1-[(R)-2-((R)-2-hydroxy-3-phenyl-prop...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N |t:36| Show InChI InChI=1S/C31H46N6O4/c1-20(2)16-24(35-29(40)27(38)17-21-8-4-3-5-9-21)30(41)37-25-11-7-6-10-23(25)18-26(37)28(39)34-14-12-22-13-15-36(19-22)31(32)33/h3-5,8-9,13,20,23-27,38H,6-7,10-12,14-19H2,1-2H3,(H3,32,33)(H,34,39)(H,35,40)/t23-,24+,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3480-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.075 BindingDB Entry DOI: 10.7270/Q25M65FJ
					More data for this Ligand-Target Pair